N-(5-phenyl-[1,2,4]triazolo[1,5-a]pyridin-2-yl)-1,2-benzoxazol-6-amine

C19H13N5O — CID 59276511

IUPACN-(5-phenyl-[1,2,4]triazolo[1,5-a]pyridin-2-yl)-1,2-benzoxazol-6-amine
SMILESc1ccc(-c2cccc3nc(Nc4ccc5cnoc5c4)nn23)cc1
InChIInChI=1S/C19H13N5O/c1-2-5-13(6-3-1)16-7-4-8-18-22-19(23-24(16)18)21-15-10-9-14-12-20-25-17(14)11-15/h1-12H,(H,21,23)
InChIKeyOAMXWJGMMOMUOC-UHFFFAOYSA-N
MW327.35 g/mol
LogP4.28
Rot. Bonds3

About N-(5-phenyl-[1,2,4]triazolo[1,5-a]pyridin-2-yl)-1,2-benzoxazol-6-amine

N-(5-phenyl-[1,2,4]triazolo[1,5-a]pyridin-2-yl)-1,2-benzoxazol-6-amine (PubChem CID 59276511) has the molecular formula C19H13N5O and a molecular weight of 327.35 g/mol. Its IUPAC name is N-(5-phenyl-[1,2,4]triazolo[1,5-a]pyridin-2-yl)-1,2-benzoxazol-6-amine.

Molecular Properties

Compound NameN-(5-phenyl-[1,2,4]triazolo[1,5-a]pyridin-2-yl)-1,2-benzoxazol-6-amine
PubChem CID59276511
Molecular FormulaC19H13N5O
Molecular Weight327.35 g/mol
Exact Mass327.11
IUPAC NameN-(5-phenyl-[1,2,4]triazolo[1,5-a]pyridin-2-yl)-1,2-benzoxazol-6-amine
SMILESc1ccc(-c2cccc3nc(Nc4ccc5cnoc5c4)nn23)cc1
InChIInChI=1S/C19H13N5O/c1-2-5-13(6-3-1)16-7-4-8-18-22-19(23-24(16)18)21-15-10-9-14-12-20-25-17(14)11-15/h1-12H,(H,21,23)
InChIKeyOAMXWJGMMOMUOC-UHFFFAOYSA-N
XLogP4.28
TPSA68.25 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.35
LogP ≤ 54.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze N-(5-phenyl-[1,2,4]triazolo[1,5-a]pyridin-2-yl)-1,2-benzoxazol-6-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-(5-phenyl-[1,2,4]triazolo[1,5-a]pyridin-2-yl)-1,2-benzoxazol-6-amine?
The IUPAC name of N-(5-phenyl-[1,2,4]triazolo[1,5-a]pyridin-2-yl)-1,2-benzoxazol-6-amine (CID 59276511) is N-(5-phenyl-[1,2,4]triazolo[1,5-a]pyridin-2-yl)-1,2-benzoxazol-6-amine.
What is the SMILES notation for N-(5-phenyl-[1,2,4]triazolo[1,5-a]pyridin-2-yl)-1,2-benzoxazol-6-amine?
The canonical SMILES for N-(5-phenyl-[1,2,4]triazolo[1,5-a]pyridin-2-yl)-1,2-benzoxazol-6-amine is c1ccc(-c2cccc3nc(Nc4ccc5cnoc5c4)nn23)cc1.
What is the InChIKey of N-(5-phenyl-[1,2,4]triazolo[1,5-a]pyridin-2-yl)-1,2-benzoxazol-6-amine?
The InChIKey is OAMXWJGMMOMUOC-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H13N5O/c1-2-5-13(6-3-1)16-7-4-8-18-22-19(23-24(16)18)21-15-10-9-14-12-20-25-17(14)11-15/h1-12H,(H,21,23).
What are the key properties of N-(5-phenyl-[1,2,4]triazolo[1,5-a]pyridin-2-yl)-1,2-benzoxazol-6-amine?
N-(5-phenyl-[1,2,4]triazolo[1,5-a]pyridin-2-yl)-1,2-benzoxazol-6-amine has a molecular weight of 327.35 g/mol, XLogP of 4.28, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-phenyl-[1,2,4]triazolo[1,5-a]pyridin-2-yl)-1,2-benzoxazol-6-amine is sourced from PubChem (CID 59276511), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).